5-methyl-3-pentyl-2,3-dihydropyridine

C11H19N — CID 137435160

IUPAC5-methyl-3-pentyl-2,3-dihydropyridine
SMILESCCCCCC1C=C(C)C=NC1
InChIInChI=1S/C11H19N/c1-3-4-5-6-11-7-10(2)8-12-9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyQAFWRNKMRAMESH-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.21
Rot. Bonds4

About 5-methyl-3-pentyl-2,3-dihydropyridine

5-methyl-3-pentyl-2,3-dihydropyridine (PubChem CID 137435160) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 5-methyl-3-pentyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-methyl-3-pentyl-2,3-dihydropyridine
PubChem CID137435160
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name5-methyl-3-pentyl-2,3-dihydropyridine
SMILESCCCCCC1C=C(C)C=NC1
InChIInChI=1S/C11H19N/c1-3-4-5-6-11-7-10(2)8-12-9-11/h7-8,11H,3-6,9H2,1-2H3
InChIKeyQAFWRNKMRAMESH-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-pentyl-2,3-dihydropyridine?
The IUPAC name of 5-methyl-3-pentyl-2,3-dihydropyridine (CID 137435160) is 5-methyl-3-pentyl-2,3-dihydropyridine.
What is the SMILES notation for 5-methyl-3-pentyl-2,3-dihydropyridine?
The canonical SMILES for 5-methyl-3-pentyl-2,3-dihydropyridine is CCCCCC1C=C(C)C=NC1.
What is the InChIKey of 5-methyl-3-pentyl-2,3-dihydropyridine?
The InChIKey is QAFWRNKMRAMESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-4-5-6-11-7-10(2)8-12-9-11/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 5-methyl-3-pentyl-2,3-dihydropyridine?
5-methyl-3-pentyl-2,3-dihydropyridine has a molecular weight of 165.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-pentyl-2,3-dihydropyridine is sourced from PubChem (CID 137435160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).